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Quantum Monte Carlo

Index Quantum Monte Carlo

Quantum Monte Carlo encompasses a large family of computational methods whose common aim is the study of complex quantum systems. [1]

46 relations: Algorithm, Antisymmetric tensor, Auxiliary-field Monte Carlo, Biological system, Bose–Einstein condensate, Boson, Condensed matter physics, Configuration interaction, Continuous-time quantum Monte Carlo, Density matrix, Density matrix renormalization group, Diffusion Monte Carlo, Fermion, Gaussian quantum Monte Carlo, Geometrical frustration, Ground state, Hamiltonian (quantum mechanics), Hartree–Fock method, Hilbert space, Lattice model (physics), Liquid helium, List of quantum chemistry and solid-state physics software, Many-body problem, Materials science, Mean field particle methods, Mean field theory, Metropolis–Hastings algorithm, Molecular orbital, Monte Carlo method, Monte Carlo molecular modeling, Parallel computing, Particle filter, Path integral Monte Carlo, Polynomial, QMC@Home, Quantum chemistry, Quantum state, Quantum system, Reptation Monte Carlo, Schrödinger equation, Superfluidity, Theory of relativity, Time-dependent variational Monte Carlo, Time-evolving block decimation, Variational Monte Carlo, Wave function.

Algorithm

In mathematics and computer science, an algorithm is an unambiguous specification of how to solve a class of problems.

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Antisymmetric tensor

In mathematics and theoretical physics, a tensor is antisymmetric on (or with respect to) an index subset if it alternates sign (+/−) when any two indices of the subset are interchanged.

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Auxiliary-field Monte Carlo

Auxiliary-field Monte Carlo is a method that allows the calculation, by use of Monte Carlo techniques, of averages of operators in many-body quantum mechanical (Blankenbecler 1981, Ceperley 1977) or classical problems (Baeurle 2004, Baeurle 2003, Baeurle 2002a).

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Biological system

A biological system is a complex network of biologically relevant entities.

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Bose–Einstein condensate

A Bose–Einstein condensate (BEC) is a state of matter of a dilute gas of bosons cooled to temperatures very close to absolute zero.

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Boson

In quantum mechanics, a boson is a particle that follows Bose–Einstein statistics.

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Condensed matter physics

Condensed matter physics is the field of physics that deals with the macroscopic and microscopic physical properties of matter.

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Configuration interaction

Configuration interaction (CI) is a post-Hartree–Fock linear variational method for solving the nonrelativistic Schrödinger equation within the Born–Oppenheimer approximation for a quantum chemical multi-electron system.

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Continuous-time quantum Monte Carlo

In computational solid state physics, Continuous-time quantum Monte Carlo (CT-QMC) is a family of stochastic algorithms for solving the Anderson impurity model at finite temperature.

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Density matrix

A density matrix is a matrix that describes a quantum system in a mixed state, a statistical ensemble of several quantum states.

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Density matrix renormalization group

The density matrix renormalization group (DMRG) is a numerical variational technique devised to obtain the low-energy physics of quantum many-body systems with high accuracy.

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Diffusion Monte Carlo

Diffusion Monte Carlo (DMC) is a quantum Monte Carlo method that uses a Green's function to solve the Schrödinger equation.

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Fermion

In particle physics, a fermion is a particle that follows Fermi–Dirac statistics.

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Gaussian quantum Monte Carlo

Gaussian Quantum Monte Carlo is a quantum Monte Carlo method that shows a potential solution to the fermion sign problem without the deficiencies of alternative approaches.

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Geometrical frustration

In condensed matter physics, the term geometrical frustration (or in short: frustration) refers to a phenomenon, where atoms tend to stick to non-trivial positions or where, on a regular crystal lattice, conflicting inter-atomic forces (each one favoring rather simple, but different structures) lead to quite complex structures.

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Ground state

The ground state of a quantum mechanical system is its lowest-energy state; the energy of the ground state is known as the zero-point energy of the system.

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Hamiltonian (quantum mechanics)

In quantum mechanics, a Hamiltonian is an operator corresponding to the total energy of the system in most of the cases.

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Hartree–Fock method

In computational physics and chemistry, the Hartree–Fock (HF) method is a method of approximation for the determination of the wave function and the energy of a quantum many-body system in a stationary state.

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Hilbert space

The mathematical concept of a Hilbert space, named after David Hilbert, generalizes the notion of Euclidean space.

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Lattice model (physics)

In physics, a lattice model is a physical model that is defined on a lattice, as opposed to the continuum of space or spacetime.

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Liquid helium

At standard pressure, the chemical element helium exists in a liquid form only at the extremely low temperature of −270 °C (about 4 K or −452.2 °F).

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List of quantum chemistry and solid-state physics software

Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry.

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Many-body problem

The many-body problem is a general name for a vast category of physical problems pertaining to the properties of microscopic systems made of a large number of interacting particles.

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Materials science

The interdisciplinary field of materials science, also commonly termed materials science and engineering is the design and discovery of new materials, particularly solids.

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Mean field particle methods

Mean field particle methods are a broad class of interacting type Monte Carlo algorithms for simulating from a sequence of probability distributions satisfying a nonlinear evolution equation These flows of probability measures can always be interpreted as the distributions of the random states of a Markov process whose transition probabilities depends on the distributions of the current random states.

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Mean field theory

In physics and probability theory, mean field theory (MFT also known as self-consistent field theory) studies the behavior of large and complex stochastic models by studying a simpler model.

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Metropolis–Hastings algorithm

In statistics and in statistical physics, the Metropolis–Hastings algorithm is a Markov chain Monte Carlo (MCMC) method for obtaining a sequence of random samples from a probability distribution for which direct sampling is difficult.

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Molecular orbital

In chemistry, a molecular orbital (MO) is a mathematical function describing the wave-like behavior of an electron in a molecule.

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Monte Carlo method

Monte Carlo methods (or Monte Carlo experiments) are a broad class of computational algorithms that rely on repeated random sampling to obtain numerical results.

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Monte Carlo molecular modeling

Monte Carlo molecular modeling is the application of Monte Carlo methods to molecular problems.

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Parallel computing

Parallel computing is a type of computation in which many calculations or the execution of processes are carried out concurrently.

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Particle filter

Particle filters or Sequential Monte Carlo (SMC) methods are a set of genetic, Monte Carlo algorithms used to solve filtering problems arising in signal processing and Bayesian statistical inference.

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Path integral Monte Carlo

Path integral Monte Carlo (PIMC) is a quantum Monte Carlo method in the path integral formulation of quantum statistical mechanics.

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Polynomial

In mathematics, a polynomial is an expression consisting of variables (also called indeterminates) and coefficients, that involves only the operations of addition, subtraction, multiplication, and non-negative integer exponents of variables.

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QMC@Home

QMC@Home is a distributed computing project for the BOINC client aimed at further developing and testing Quantum Monte Carlo (QMC) for use in quantum chemistry.

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Quantum chemistry

Quantum chemistry is a branch of chemistry whose primary focus is the application of quantum mechanics in physical models and experiments of chemical systems.

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Quantum state

In quantum physics, quantum state refers to the state of an isolated quantum system.

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Quantum system

A quantum system is a portion of the whole Universe (environment or physical world) which is taken under consideration to make analysis or to study for quantum mechanics pertaining to the wave-particle duality in that system.

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Reptation Monte Carlo

Reptation Monte Carlo is a quantum Monte Carlo method.

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Schrödinger equation

In quantum mechanics, the Schrödinger equation is a mathematical equation that describes the changes over time of a physical system in which quantum effects, such as wave–particle duality, are significant.

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Superfluidity

Superfluidity is the characteristic property of a fluid with zero viscosity which therefore flows without loss of kinetic energy.

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Theory of relativity

The theory of relativity usually encompasses two interrelated theories by Albert Einstein: special relativity and general relativity.

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Time-dependent variational Monte Carlo

The time-dependent variational Monte Carlo (t-VMC) method is a quantum Monte Carlo approach to study the dynamics of closed, non-relativistic quantum systems in the context of the quantum many-body problem.

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Time-evolving block decimation

The time-evolving block decimation (TEBD) algorithm is a numerical scheme used to simulate one-dimensional quantum many-body systems, characterized by at most nearest-neighbour interactions.

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Variational Monte Carlo

In computational physics, variational Monte Carlo (VMC) is a quantum Monte Carlo method that applies the variational method to approximate the ground state of a quantum system.

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Wave function

A wave function in quantum physics is a mathematical description of the quantum state of an isolated quantum system.

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References

[1] https://en.wikipedia.org/wiki/Quantum_Monte_Carlo

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